BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

Trimethylamine

Trimethylamine bmse000224 - Data

Trimethylamine synonyms

Trimethylamine, in aqueous solution; Trimethylamine, anhydrous [UN1083] [Flammable gas]; Methanamine, N,N-dimethyl-; Trimethylamine solution; N-Trimethylamine; Dimethylmethaneamine; (CH3)3N; N,N-Dimethylmethanamine; TRIMETHYLAMINE

Wikipedia:

Graphical representations:

trimethylamine

View large 3D structure

Molecular Formula: C3H9N

Natural Isotopic Abundance Mass: 59.1102600000

Mono-Isotopic Molecular Masses:

  • C12N14: 59.0734992941
  • C13N14: 62.0835638075
  • C12N15: 60.0705341873
  • C13N15: 63.0805987007

InChI string: InChI=1S/C3H9N/c1-4(2)3/h1-3H3

IUPAC: N,N-dimethylmethanamine

PubChem Compound (CID): 1146
KEGG Compound ID: C00565
CAS Registry number: 20230-89-1 2840-24-6 4558-12-7 593-81-7 75-50-3
ChEBI: 18139
HSDB: 808
CCRIS: 6283
EINECS: 200-875-0
FEMA No.: 3241
FEMA Number: 3241
PDB Compound ID: KEN

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)